N,5-diethyl-N-methylisoquinolin-1-amine

C14H18N2 — CID 176668009

IUPACN,5-diethyl-N-methylisoquinolin-1-amine
SMILESCCc1cccc2c(N(C)CC)nccc12
InChIInChI=1S/C14H18N2/c1-4-11-7-6-8-13-12(11)9-10-15-14(13)16(3)5-2/h6-10H,4-5H2,1-3H3
InChIKeyJWBQXCPLPVHVNG-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.25
Rot. Bonds3

About N,5-diethyl-N-methylisoquinolin-1-amine

N,5-diethyl-N-methylisoquinolin-1-amine (PubChem CID 176668009) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is N,5-diethyl-N-methylisoquinolin-1-amine.

Molecular Properties

Compound NameN,5-diethyl-N-methylisoquinolin-1-amine
PubChem CID176668009
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC NameN,5-diethyl-N-methylisoquinolin-1-amine
SMILESCCc1cccc2c(N(C)CC)nccc12
InChIInChI=1S/C14H18N2/c1-4-11-7-6-8-13-12(11)9-10-15-14(13)16(3)5-2/h6-10H,4-5H2,1-3H3
InChIKeyJWBQXCPLPVHVNG-UHFFFAOYSA-N
XLogP3.25
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,5-diethyl-N-methylisoquinolin-1-amine?
The IUPAC name of N,5-diethyl-N-methylisoquinolin-1-amine (CID 176668009) is N,5-diethyl-N-methylisoquinolin-1-amine.
What is the SMILES notation for N,5-diethyl-N-methylisoquinolin-1-amine?
The canonical SMILES for N,5-diethyl-N-methylisoquinolin-1-amine is CCc1cccc2c(N(C)CC)nccc12.
What is the InChIKey of N,5-diethyl-N-methylisoquinolin-1-amine?
The InChIKey is JWBQXCPLPVHVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-4-11-7-6-8-13-12(11)9-10-15-14(13)16(3)5-2/h6-10H,4-5H2,1-3H3.
What are the key properties of N,5-diethyl-N-methylisoquinolin-1-amine?
N,5-diethyl-N-methylisoquinolin-1-amine has a molecular weight of 214.31 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-diethyl-N-methylisoquinolin-1-amine is sourced from PubChem (CID 176668009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).